Structure of PDB 7mes Chain B Binding Site BS02

Receptor Information
>7mes Chain B (length=527) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKVANEPILAFSQGSPERDALQKALKDLKGQTEAIPCVVGDEEVWTSDI
QYQLSPFNHAHKVAKFCYADKALLNRAIDAALAARKEWDLKPMADRAQVF
LKAADMLSGPRRAEVLAKTMVGQGKTVIQAEIDAAAELIDFFRFNAKFAV
ELEGEQPISVPPSTNHTVYRGLEGFVAAISPFNFTAIGGNLAGAPALMGN
VVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPTFGDTVTSSEH
LCGINFTGSVPTFKHLWRQVAQNLDRFRTFPRLAGECGGKNFHFVHSSAD
VDSVVSGTLRSAFEYGGQKCSACSRLYVPKSLWPQIKGRLLEEHSRIKVG
DPAEDFGTFFSAVIDAKAFARIKKWLEHARSSPSLSILAGGQCNESVGYY
VEPCIIESKDPQEPIMKEEIFGPVLTVYVYPDDKYRETLKLVDSTTSYGL
TGAVFAQDKAIVQEATRMLRNAAGNFYINDKSTGSVVGQQPFGGARASGT
NDKPGGPHYILRWTSPQVIKETHKPLG
Ligand information
Ligand IDUY7
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
InChIKeyPMMYEEVYMWASQN-IUYQGCFVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C1C(O)CNC1C(O)=O
OpenEye OEToolkits 2.0.7C1C(CNC1C(=O)O)O
CACTVS 3.385O[CH]1CN[CH](C1)C(O)=O
OpenEye OEToolkits 2.0.7C1[C@@H](CN[C@H]1C(=O)O)O
CACTVS 3.385O[C@@H]1CN[C@H](C1)C(O)=O
FormulaC5 H9 N O3
Name(4S)-4-hydroxy-D-proline
ChEMBL
DrugBank
ZINCZINC000000895457
PDB chain7mes Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mes Structural basis for the stereospecific inhibition of the dual proline/hydroxyproline catabolic enzyme ALDH4A1 by trans-4-hydroxy-L-proline.
Resolution1.37 Å
Binding residue
(original residue number in PDB)		E165 F212 S349 G512 S513 F520
Binding residue
(residue number reindexed from 1)		E137 F184 S321 G484 S485 F492
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N211 K233 E314 C348 E447 P532
Catalytic site (residue number reindexed from 1) N183 K205 E286 C320 E419 P504
Enzyme Commision number 1.2.1.88: L-glutamate gamma-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0003842 1-pyrroline-5-carboxylate dehydrogenase activity
GO:0004029 aldehyde dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0042802 identical protein binding
Biological Process
GO:0006560 proline metabolic process
GO:0010133 proline catabolic process to glutamate
Cellular Component
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mes, PDBe:7mes, PDBj:7mes
PDBsum7mes
PubMed34048122
UniProtQ8CHT0|AL4A1_MOUSE Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial (Gene Name=Aldh4a1)

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